SCHEMBL4067810

SCHEMBL4067810

CC(C)CCN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4ccc(C#N)cc34)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.52
DYRK3 O43781 1/20 0.52
CDK1 P06493 1/20 0.52
GSK3B P49841 1/20 0.52
CDK7 P50613 1/20 0.52
CDK5 Q00535 1/20 0.52
CAMK2G Q13555 1/20 0.52
MARK2 Q7KZI7 1/20 0.52
PIM3 Q86V86 1/20 0.52
MINK1 Q8N4C8 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
SGK2 Q9HBY8 1/20 0.52
STK17A Q9UEE5 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
CSF1R P07333 1/20 0.37
ERBB2 P04626 3/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4060314 0.99 CDK2 (0.51) CDK2DYRK3CDK1GSK3BCDK7
SCHEMBL4060961 0.90 DYRK3 (0.55) CDK2DYRK3CDK1GSK3BCDK7
Hydrochloric Acid SCHEMBL4060471 0.89 DYRK3 (0.54) CDK2DYRK3CDK1GSK3BCDK7
SCHEMBL3191993 0.89 CDK2 (0.53) CDK2DYRK3CDK1GSK3BCDK7
SCHEMBL4061528 0.88 CDK2 (0.51) CDK2DYRK3CDK1GSK3BCDK7
Hydrochloric Acid SCHEMBL4060387 0.88 CDK2 (0.52) CDK2DYRK3CDK1GSK3BCDK7
Hydrochloric Acid SCHEMBL4062688 0.87 CDK2 (0.50) CDK2DYRK3CDK1GSK3BCDK7
SCHEMBL27657011 0.86 DYRK3 (0.47) CDK2DYRK3CDK1GSK3BCDK7
SCHEMBL27657010 0.86 DYRK3 (0.47) CDK2DYRK3CDK1GSK3BCDK7
SCHEMBL4063350 0.85 DYRK3 (0.50) CDK2DYRK3CDK1GSK3BCDK7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed